4L0F
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis (open active site)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.978900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.020, 79.550, 62.880 |
| Unit cell angles | 90.00, 104.53, 90.00 |
Refinement procedure
| Resolution | 48.340 - 1.900 |
| R-factor | 0.1814 |
| Rwork | 0.179 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4loe |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.258 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.341 | 40.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 10.000 | 1.900 |
| Rmerge | 0.080 | 0.035 | 0.367 |
| Number of reflections | 35636 | 264 | 4846 |
| <I/σ(I)> | 16.57 | 47.64 | 4.62 |
| Completeness [%] | 98.5 | 98.5 | 94.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1 M MES, 12% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
